6-pentyl-3-prop-2-enyloxan-2-one

C13H22O2 — CID 23093365

IUPAC6-pentyl-3-prop-2-enyloxan-2-one
SMILESC=CCC1CCC(CCCCC)OC1=O
InChIInChI=1S/C13H22O2/c1-3-5-6-8-12-10-9-11(7-4-2)13(14)15-12/h4,11-12H,2-3,5-10H2,1H3
InChIKeyLAYHCIDJQPXLJK-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.46
Rot. Bonds6

About 6-pentyl-3-prop-2-enyloxan-2-one

6-pentyl-3-prop-2-enyloxan-2-one (PubChem CID 23093365) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-pentyl-3-prop-2-enyloxan-2-one.

Molecular Properties

Compound Name6-pentyl-3-prop-2-enyloxan-2-one
PubChem CID23093365
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name6-pentyl-3-prop-2-enyloxan-2-one
SMILESC=CCC1CCC(CCCCC)OC1=O
InChIInChI=1S/C13H22O2/c1-3-5-6-8-12-10-9-11(7-4-2)13(14)15-12/h4,11-12H,2-3,5-10H2,1H3
InChIKeyLAYHCIDJQPXLJK-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-3-prop-2-enyloxan-2-one?
The IUPAC name of 6-pentyl-3-prop-2-enyloxan-2-one (CID 23093365) is 6-pentyl-3-prop-2-enyloxan-2-one.
What is the SMILES notation for 6-pentyl-3-prop-2-enyloxan-2-one?
The canonical SMILES for 6-pentyl-3-prop-2-enyloxan-2-one is C=CCC1CCC(CCCCC)OC1=O.
What is the InChIKey of 6-pentyl-3-prop-2-enyloxan-2-one?
The InChIKey is LAYHCIDJQPXLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-5-6-8-12-10-9-11(7-4-2)13(14)15-12/h4,11-12H,2-3,5-10H2,1H3.
What are the key properties of 6-pentyl-3-prop-2-enyloxan-2-one?
6-pentyl-3-prop-2-enyloxan-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-3-prop-2-enyloxan-2-one is sourced from PubChem (CID 23093365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).